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Structure paper

TitleStructural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
Journal, issue, pagesJ. Biol. Chem., Vol. 285, Page 31783-31795, Year 2010
Publish dateMar 30, 2010 (structure data deposition date)
AuthorsMast, N. / Charvet, C. / Pikuleva, I.A. / Stout, C.D.
External linksJ. Biol. Chem. / PubMed:20667828
MethodsX-ray diffraction
Resolution1.6 - 2.4 Å
Structure data

PDB-3mdm:
Thioperamide complex of Cytochrome P450 46A1
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3mdr:
Tranylcypromine complex of Cytochrome P450 46A1
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3mdt:
Voriconazole complex of Cytochrome P450 46A1
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3mdv:
Clotrimazole complex of Cytochrome P450 46A1
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-FJZ:
N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide / antagonist*YM

ChemComp-HOH:
WATER

ChemComp-GJZ:
(1R,2S)-2-phenylcyclopropanamine / inhibitor*YM

ChemComp-VOR:
Voriconazole / medication, antifungal*YM

ChemComp-CL6:
1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE / medication, antifungal*YM

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / CYP46A1 / P450 46A1 / P450 / THIOPERAMIDE / MONOOXYGENASE / METABOLIC ENZYME / HEME / Cholesterol metabolism / Endoplasmic reticulum / Iron / Lipid metabolism / Membrane / Metal-binding / Microsome / NADP / Steroid metabolism / Transmembrane / TRANYLCYPROMINE / VORICONAZOLE / CLOTRIMAZOLE

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